939761-72-5
2-(4-METHOXY-BENZYL)-8-OXA-2-AZA-SPIRO[4.5]DECANE-4-CARBOXYLIC ACID HYDROCHLORIDE
Name2-(4-METHOXY-BENZYL)-8-OXA-2-AZA-SPIRO[4.5]DECANE-4-CARBOXYLIC ACID HYDROCHLORIDE
pro_formulaC17 H23 N O4 . Cl H
1Identification
【Name】
2-(4-METHOXY-BENZYL)-8-OXA-2-AZA-SPIRO[4.5]DECANE-4-CARBOXYLIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD08543555
【EnglishSynonyms】
【pro_formula】
C17 H23 N O4 . Cl H
【pro_molWeight】
341.833
【Inchi】
InChI=1S/C17H23NO4.ClH/c1-21-14-4-2-13(3-5-14)10-18-11-15(16(19)20)17(12-18)6-8-22-9-7-17;/h2-5,15H,6-12H2,1H3,(H,19,20);1H
【InChIKey】
InChIKey=WAAFWOADZHIJPG-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)CN2CC(C3(C2)CCOCC3)C(=O)O.Cl
【MOL File】
2-(4-METHOXY-BENZYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(4-METHOXY-BENZYL)-8-OXA-2-AZA-SPIRO[4.5]DECANE-4-CARBOXYLIC ACID HYDROCHLORIDE.cml